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Home > Other Heterocycles > 88239-06-9
88239-06-9 | 1,4-Dioxaspiro[4.5]decane-2-carbonitrile, 3-methyl-, trans-
CAS No: 88239-06-9 Catalog No: AG004CUR MDL No:
Product Description
Catalog Number:
AG004CUR
Chemical Name:
1,4-Dioxaspiro[4.5]decane-2-carbonitrile, 3-methyl-, trans-
CAS Number:
88239-06-9
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
(2S,3S)-2-methyl-1,4-dioxaspiro[4.5]decane-3-carbonitrile
InChI:
InChI=1S/C10H15NO2/c1-8-9(7-11)13-10(12-8)5-3-2-4-6-10/h8-9H,2-6H2,1H3/t8-,9-/m0/s1
InChI Key:
QMUKTUKBGTUVJV-IUCAKERBSA-N
SMILES:
N#C[C@@H]1OC2(O[C@H]1C)CCCCC2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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